2-(3-chloro-4-methylpent-4-enyl)-2-methyl-1,3-dioxolane

C10H17ClO2 — CID 10998140

IUPAC2-(3-chloro-4-methylpent-4-enyl)-2-methyl-1,3-dioxolane
SMILESC=C(C)C(Cl)CCC1(C)OCCO1
InChIInChI=1S/C10H17ClO2/c1-8(2)9(11)4-5-10(3)12-6-7-13-10/h9H,1,4-7H2,2-3H3
InChIKeyNDXQHWFVJNALMT-UHFFFAOYSA-N
MW204.70 g/mol
LogP2.71
Rot. Bonds4

About 2-(3-chloro-4-methylpent-4-enyl)-2-methyl-1,3-dioxolane

2-(3-chloro-4-methylpent-4-enyl)-2-methyl-1,3-dioxolane (PubChem CID 10998140) has the molecular formula C10H17ClO2 and a molecular weight of 204.70 g/mol. Its IUPAC name is 2-(3-chloro-4-methylpent-4-enyl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(3-chloro-4-methylpent-4-enyl)-2-methyl-1,3-dioxolane
PubChem CID10998140
Molecular FormulaC10H17ClO2
Molecular Weight204.70 g/mol
Exact Mass204.09
IUPAC Name2-(3-chloro-4-methylpent-4-enyl)-2-methyl-1,3-dioxolane
SMILESC=C(C)C(Cl)CCC1(C)OCCO1
InChIInChI=1S/C10H17ClO2/c1-8(2)9(11)4-5-10(3)12-6-7-13-10/h9H,1,4-7H2,2-3H3
InChIKeyNDXQHWFVJNALMT-UHFFFAOYSA-N
XLogP2.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylpent-4-enyl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(3-chloro-4-methylpent-4-enyl)-2-methyl-1,3-dioxolane (CID 10998140) is 2-(3-chloro-4-methylpent-4-enyl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(3-chloro-4-methylpent-4-enyl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(3-chloro-4-methylpent-4-enyl)-2-methyl-1,3-dioxolane is C=C(C)C(Cl)CCC1(C)OCCO1.
What is the InChIKey of 2-(3-chloro-4-methylpent-4-enyl)-2-methyl-1,3-dioxolane?
The InChIKey is NDXQHWFVJNALMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClO2/c1-8(2)9(11)4-5-10(3)12-6-7-13-10/h9H,1,4-7H2,2-3H3.
What are the key properties of 2-(3-chloro-4-methylpent-4-enyl)-2-methyl-1,3-dioxolane?
2-(3-chloro-4-methylpent-4-enyl)-2-methyl-1,3-dioxolane has a molecular weight of 204.70 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylpent-4-enyl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 10998140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).